1-[[4-(hydrazinecarbonyl)phenyl]methyl]-N,3-dimethylpyrrolidine-3-carboxamide

C15H22N4O2 — CID 106322065

IUPAC1-[[4-(hydrazinecarbonyl)phenyl]methyl]-N,3-dimethylpyrrolidine-3-carboxamide
SMILESCNC(=O)C1(C)CCN(Cc2ccc(C(=O)NN)cc2)C1
InChIInChI=1S/C15H22N4O2/c1-15(14(21)17-2)7-8-19(10-15)9-11-3-5-12(6-4-11)13(20)18-16/h3-6H,7-10,16H2,1-2H3,(H,17,21)(H,18,20)
InChIKeyVGZMDFPJHMPSCW-UHFFFAOYSA-N
MW290.37 g/mol
LogP0.25
Rot. Bonds4

About 1-[[4-(hydrazinecarbonyl)phenyl]methyl]-N,3-dimethylpyrrolidine-3-carboxamide

1-[[4-(hydrazinecarbonyl)phenyl]methyl]-N,3-dimethylpyrrolidine-3-carboxamide (PubChem CID 106322065) has the molecular formula C15H22N4O2 and a molecular weight of 290.37 g/mol. Its IUPAC name is 1-[[4-(hydrazinecarbonyl)phenyl]methyl]-N,3-dimethylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-[[4-(hydrazinecarbonyl)phenyl]methyl]-N,3-dimethylpyrrolidine-3-carboxamide
PubChem CID106322065
Molecular FormulaC15H22N4O2
Molecular Weight290.37 g/mol
Exact Mass290.17
IUPAC Name1-[[4-(hydrazinecarbonyl)phenyl]methyl]-N,3-dimethylpyrrolidine-3-carboxamide
SMILESCNC(=O)C1(C)CCN(Cc2ccc(C(=O)NN)cc2)C1
InChIInChI=1S/C15H22N4O2/c1-15(14(21)17-2)7-8-19(10-15)9-11-3-5-12(6-4-11)13(20)18-16/h3-6H,7-10,16H2,1-2H3,(H,17,21)(H,18,20)
InChIKeyVGZMDFPJHMPSCW-UHFFFAOYSA-N
XLogP0.25
TPSA87.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 50.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-[[3-methyl-3-(methylcarbamoyl)pyrrolidin-1-yl]methyl]benzoic acid
CID 106318978
1-[[3-(aminomethyl)-5-fluorophenyl]methyl]-N,3-dimethylpyrrolidine-3-carboxamide
CID 106317892
2-fluoro-4-[[3-methyl-3-(methylcarbamoyl)pyrrolidin-1-yl]methyl]benzoic acid
CID 106318976
1-[(5-amino-2-chlorophenyl)methyl]-N,3-dimethylpyrrolidine-3-carboxamide
CID 106317846
1-[(3-bromo-4-methoxyphenyl)methyl]-N,3-dimethylpyrrolidine-3-carboxamide
CID 106150971
1-[(3-amino-5-methoxyphenyl)methyl]-N,3-dimethylpyrrolidine-3-carboxamide
CID 106317866
1-[(4-hydrazinyl-2-pyridinyl)methyl]-N,3-dimethylpyrrolidine-3-carboxamide
CID 106321690
1-(3-hydrazinyl-3-oxopropyl)-N,3-dimethylpyrrolidine-3-carboxamide
CID 106322049
1-[4-(chloromethyl)benzoyl]-N,3-dimethylpyrrolidine-3-carboxamide
CID 106317992
1-[(5-chloropyrazin-2-yl)methyl]-N,3-dimethylpyrrolidine-3-carboxamide
CID 114172807
1-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]-N,3-dimethylpyrrolidine-3-carboxamide
CID 106321678
1-[(2-hydroxy-3-methylphenyl)methyl]-N,3-dimethylpyrrolidine-3-carboxamide
CID 106151899

Frequently Asked Questions

What is the IUPAC name of 1-[[4-(hydrazinecarbonyl)phenyl]methyl]-N,3-dimethylpyrrolidine-3-carboxamide?
The IUPAC name of 1-[[4-(hydrazinecarbonyl)phenyl]methyl]-N,3-dimethylpyrrolidine-3-carboxamide (CID 106322065) is 1-[[4-(hydrazinecarbonyl)phenyl]methyl]-N,3-dimethylpyrrolidine-3-carboxamide.
What is the SMILES notation for 1-[[4-(hydrazinecarbonyl)phenyl]methyl]-N,3-dimethylpyrrolidine-3-carboxamide?
The canonical SMILES for 1-[[4-(hydrazinecarbonyl)phenyl]methyl]-N,3-dimethylpyrrolidine-3-carboxamide is CNC(=O)C1(C)CCN(Cc2ccc(C(=O)NN)cc2)C1.
What is the InChIKey of 1-[[4-(hydrazinecarbonyl)phenyl]methyl]-N,3-dimethylpyrrolidine-3-carboxamide?
The InChIKey is VGZMDFPJHMPSCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O2/c1-15(14(21)17-2)7-8-19(10-15)9-11-3-5-12(6-4-11)13(20)18-16/h3-6H,7-10,16H2,1-2H3,(H,17,21)(H,18,20).
What are the key properties of 1-[[4-(hydrazinecarbonyl)phenyl]methyl]-N,3-dimethylpyrrolidine-3-carboxamide?
1-[[4-(hydrazinecarbonyl)phenyl]methyl]-N,3-dimethylpyrrolidine-3-carboxamide has a molecular weight of 290.37 g/mol, XLogP of 0.25, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(hydrazinecarbonyl)phenyl]methyl]-N,3-dimethylpyrrolidine-3-carboxamide is sourced from PubChem (CID 106322065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).